Chemical Components in the PDB

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CNN : Summary

Code

CNN

One-letter code

X

Molecule name

CYANAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 cyanamide
OpenEye OEToolkits 1.5.0 cyanamide

Formula

C H2 N2

Formal charge

0

Molecular weight

42.04 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N#CN
SMILES CACTVS 3.341 NC#N
SMILES OpenEye OEToolkits 1.5.0 C(#N)N
Canonical SMILES CACTVS 3.341 NC#N
Canonical SMILES OpenEye OEToolkits 1.5.0 C(#N)N

IUPAC InChI

InChI=1S/CH2N2/c2-1-3/h2H2

IUPAC InChI key

XZMCDFZZKTWFGF-UHFFFAOYSA-N
CNN

wwPDB Information

Atom count

5 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-06-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned